CID 10930068
(2s)-eriodictyol 7-o-(6''-o-galloyl)-beta-d-glucopyranoside
Structural Information
- Molecular Formula
- C28H26O15
- SMILES
- C1[C@H](OC2=CC(=CC(=C2C1=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)O)C5=CC(=C(C=C5)O)O
- InChI
- InChI=1S/C28H26O15/c29-13-2-1-10(3-14(13)30)19-8-16(32)22-15(31)6-12(7-20(22)42-19)41-28-26(38)25(37)24(36)21(43-28)9-40-27(39)11-4-17(33)23(35)18(34)5-11/h1-7,19,21,24-26,28-31,33-38H,8-9H2/t19-,21+,24+,25-,26+,28+/m0/s1
- InChIKey
- SHPCBRSOJXQRDY-RKLFNRSMSA-N
- Compound name
- [(2R,3S,4S,5R,6S)-6-[[(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-2,3-dihydrochromen-7-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 603.13448 | 233.4 |
[M+Na]+ | 625.11642 | 238.0 |
[M-H]- | 601.11992 | 230.3 |
[M+NH4]+ | 620.16102 | 235.2 |
[M+K]+ | 641.09036 | 232.4 |
[M+H-H2O]+ | 585.12446 | 222.9 |
[M+HCOO]- | 647.12540 | 237.2 |
[M+CH3COO]- | 661.14105 | 241.3 |
[M+Na-2H]- | 623.10187 | 255.8 |
[M]+ | 602.12665 | 245.6 |
[M]- | 602.12775 | 245.6 |
Literature stripe
Patent stripe
No patent data available for this compound.